Lattice dynamics simulation using machine learning interatomic ...
Machine-learning interatomic potentials: A new avenue ... - GEPRIS
... and apply them in molecular-dynamics . ... Subject Area Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale.
Molecular Simulations using Machine Learning, Part 2 | by Aron
We will focus on the interatomic potential: a single function depending on the positions of all the nuclei. The same principles that we use to ...
Webinar 118 | Machine learning interatomic potentials for ... - YouTube
... simulations related to radiation-induced damage in various materials. Web-based materials simulation platform(MatSQ) - https://www ...
Such a good liquid-crystal portability of the machine learning interatomic potential opens prospects for the simulation of the structure and properties of ...